CID 3023813

94158-55-1

Structural Information

Molecular Formula

C₁₂H₁₀Cl₂N₂O

SMILES

CC(C(=O)C1=C(C=C(C=C1)Cl)Cl)N2C=CN=C2

InChI

InChI=1S/C12H10Cl2N2O/c1-8(16-5-4-15-7-16)12(17)10-3-2-9(13)6-11(10)14/h2-8H,1H3

InChIKey

SFMBWOWMCGHHQM-UHFFFAOYSA-N

Compound name

1-(2,4-dichlorophenyl)-2-imidazol-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 268.01703 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.024306	155.3
[M+Na]+	291.006248	165.3
[M-H]-	267.009754	159.0
[M+NH4]+	286.050853	172.0
[M+K]+	306.980188	159.5
[M+H-H2O]+	251.014290	148.0
[M+HCOO]-	313.015231	167.0
[M+CH3COO]-	327.030881	194.7
[M+Na-2H]-	288.991696	156.8
[M]+	268.01648142	158.8
[M]-	268.01757858	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe